UCSF

ZINC36732000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.52 2.7 -49.63 3 4 1 51 244.403 8
Mid Mid (pH 6-8) 0.52 4.11 -30.63 3 4 1 51 244.403 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )